4-(13-methyltetradecanoyloxy)benzenesulfonic acid

Systemtic Name: 4-(13-methyltetradecanoyloxy)benzenesulfonic acid Openeye Name: 4-(13-methyltetradecanoyloxy)benzenesulfonic acid CAS Name: 4-(13-methyl-1-oxotetradecoxy)benzenesulfonic acid IUPAC Name: 4-(13-methyltetradecanoyloxy)benzenesulfonic acid Traditional Name: 4-(13-methyltetradecanoyloxy)besylic acid Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H34O5S/c1-18(2)12-10-8-6-4-3-5-7-9-11-13-21(22)26-19-14-16-20(17-15-19)27(23,24)25/h14-18H,3-13H2,1-2H3,(H,23,24,25)